5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one

C20H24N2O — CID 141465869

IUPAC5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(Nc2ccc3c(c2)C(CCC(C)C)C(=O)N3)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)4-10-17-18-12-16(9-11-19(18)22-20(17)23)21-15-7-5-14(3)6-8-15/h5-9,11-13,17,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyGMFRCRYEYFXPAG-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.21
Rot. Bonds5

About 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one

5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one (PubChem CID 141465869) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one
PubChem CID141465869
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCc1ccc(Nc2ccc3c(c2)C(CCC(C)C)C(=O)N3)cc1
InChIInChI=1S/C20H24N2O/c1-13(2)4-10-17-18-12-16(9-11-19(18)22-20(17)23)21-15-7-5-14(3)6-8-15/h5-9,11-13,17,21H,4,10H2,1-3H3,(H,22,23)
InChIKeyGMFRCRYEYFXPAG-UHFFFAOYSA-N
XLogP5.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one (CID 141465869) is 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one is Cc1ccc(Nc2ccc3c(c2)C(CCC(C)C)C(=O)N3)cc1.
What is the InChIKey of 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is GMFRCRYEYFXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13(2)4-10-17-18-12-16(9-11-19(18)22-20(17)23)21-15-7-5-14(3)6-8-15/h5-9,11-13,17,21H,4,10H2,1-3H3,(H,22,23).
What are the key properties of 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one?
5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 308.43 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-3-(3-methylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 141465869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).